(2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one

C23H19NO3 — CID 1024118

IUPAC(2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one
SMILESO=C1O[C@@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H19NO3/c25-21(18-12-6-2-7-13-18)24-20(16-17-10-4-1-5-11-17)23(26)27-22(24)19-14-8-3-9-15-19/h1-15,20,22H,16H2/t20-,22+/m1/s1
InChIKeyZQIYMSGCSHJWRW-IRLDBZIGSA-N
MW357.41 g/mol
LogP4.00
Rot. Bonds4

About (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one

(2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one (PubChem CID 1024118) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name(2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one
PubChem CID1024118
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name(2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one
SMILESO=C1O[C@@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H19NO3/c25-21(18-12-6-2-7-13-18)24-20(16-17-10-4-1-5-11-17)23(26)27-22(24)19-14-8-3-9-15-19/h1-15,20,22H,16H2/t20-,22+/m1/s1
InChIKeyZQIYMSGCSHJWRW-IRLDBZIGSA-N
XLogP4.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one?
The IUPAC name of (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one (CID 1024118) is (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one?
The canonical SMILES for (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one is O=C1O[C@@H](c2ccccc2)N(C(=O)c2ccccc2)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one?
The InChIKey is ZQIYMSGCSHJWRW-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H19NO3/c25-21(18-12-6-2-7-13-18)24-20(16-17-10-4-1-5-11-17)23(26)27-22(24)19-14-8-3-9-15-19/h1-15,20,22H,16H2/t20-,22+/m1/s1.
What are the key properties of (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one?
(2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one has a molecular weight of 357.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-3-benzoyl-4-benzyl-2-phenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 1024118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).